CID 9666539

4-(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)ph 3-bromobenzoate

Structural Information

Molecular Formula
C29H23BrN2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H23BrN2O4/c1-20(35-26-16-12-23(13-17-26)22-6-3-2-4-7-22)28(33)32-31-19-21-10-14-27(15-11-21)36-29(34)24-8-5-9-25(30)18-24/h2-20H,1H3,(H,32,33)/b31-19+
InChIKey
RQXBBEIWOLRKJD-ZCTHSVRISA-N
Compound name
[4-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.0841 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.09138 223.6
[M+Na]+ 565.07332 228.1
[M-H]- 541.07682 237.6
[M+NH4]+ 560.11792 230.7
[M+K]+ 581.04726 217.0
[M+H-H2O]+ 525.08136 217.2
[M+HCOO]- 587.08230 243.5
[M+CH3COO]- 601.09795 246.6
[M+Na-2H]- 563.05877 224.7
[M]+ 542.08355 242.8
[M]- 542.08465 242.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.